ChemicalBook--->CAS DataBase List--->13026-23-8

13026-23-8

13026-23-8 Structure

13026-23-8 Structure
IdentificationMore
[Name]

4-PHENYLCINNAMIC ACID
[CAS]

13026-23-8
[Synonyms]

3-[1,1'-BIPHENYL]-4-YLACRYLIC ACID
3-(4-BIPHENYL)ACRYLIC ACID
4-BIPHENYL ACRYLIC ACID
4-PHENYLCINNAMIC ACID
BIPHENYL-4-ACRYLIC ACID
P-PHENYLCINNAMIC ACID
RARECHEM BK HW 0237
TIMTEC-BB SBB002373
TRANS-3-(4,1'-BIPHEN-1-YL)ACRYLIC ACID
TRANS-4-PHENYLCINNAMIC ACID
TRANS-P-PHENYLCINNAMIC ACID
Diphenyl-4-Acrylic Acid
4-PHENYLCINNAMIC ACID 98%
4-Phenylcinnamic acid, 98+%
(2E)-3-biphenyl-4-ylacrylic acid
3-Biphenyl-4-ylacrylic acid
[EINECS(EC#)]

235-888-0
[Molecular Formula]

C15H12O2
[MDL Number]

MFCD00014010
[Molecular Weight]

224.25
[MOL File]

13026-23-8.mol
Chemical PropertiesBack Directory
[Melting point ]

224-225°C
[Boiling point ]

412.9±24.0 °C(Predicted)
[density ]

1.178±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder
[pka]

4.46±0.10(Predicted)
[color ]

White
[Water Solubility ]

Slightly soluble in water.
[BRN ]

1955124
[InChI]

1S/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
[InChIKey]

DMJDEZUEYXVYNO-DHZHZOJOSA-N
[SMILES]

OC(=O)\C=C\c1ccc(cc1)c2ccccc2
[CAS DataBase Reference]

13026-23-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

22-51/53
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

4-Phenylcinnamic acid is used as pharmaceutical intermediates and for chemical research.
[Synthesis]

Acetic acid

64-19-7

4-Biphenylcarboxaldehyde

3218-36-8

4-PHENYLCINNAMIC ACID

13026-23-8

General method: p-phenylbenzaldehyde (0.1 mol) and glacial acetic acid (0.1 mol) were dissolved in dichloromethane (15 mL) under nitrogen protection, followed by the addition of titanium tetrachloride (TiCl4, 0.21 mol). The reaction mixture was stirred at room temperature for 20 min. Subsequently, triethylamine (Et3N, 0.25 mol) was slowly added dropwise over 10 minutes, and the reaction continued to be stirred at room temperature for 3-4 hours after the drop was completed. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the organic layer was separated by adding water (25 mL) to dilute the reaction mixture. The organic phase was dried with anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure to afford (E)-4-phenylcinnamic acid (1) in high purity and yield.

[References]

[1] Tetrahedron Letters, 2014, vol. 55, # 24, p. 3503 - 3506
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Phenylcinnamic acid, 98%(13026-23-8)
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